1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt
TL;DR: 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt (CAS 952486-64-5) is a chemical compound with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
Also Known As: N-p-Anisylsydnone, 3-(p-Methoxyphenyl)sydnone, 3-(4-Methoxyphenyl)sydnone, 3-(p-Anisyl)sydnone, N-(p-Methoxyphenyl)-sydnon
| Molecular Formula | C9H8N2O3 |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.0535 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 952486-64-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[N+]2=NOC(=C2)[O-] |
| InChIKey | MDXSZGJOBTZROY-UHFFFAOYSA-N |
Product Overview
1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt (CAS 952486-64-5), with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol. IUPAC: 3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate.
Chemical Property Profile of 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt
Property Insights of 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt. Following Lipinski's Rule of Five, 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt?
The CAS number of 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt is 952486-64-5.
What is the molecular formula of 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt?
The molecular formula of 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt is C9H8N2O3.
What is the molecular weight of 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt?
The molecular weight of 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt is 192.05 g/mol.
Where can I buy 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt?
You can request a quote for 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.